SCHEMBL1016245

SCHEMBL1016245

O=C(C=CCN1CCCCC1)N1CCc2c(sc3ncnc(Nc4ccc5c(cnn5Cc5ccccn5)c4)c23)C1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.57
ERBB2 P04626 5/20 0.48
JAK3 P52333 2/20 0.48
ERBB4 Q15303 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1016242 1.00 EGFR (0.57) EGFRERBB2JAK3ERBB4
SCHEMBL938737 0.94 EGFR (0.66) EGFRERBB2JAK3ERBB4
SCHEMBL938735 0.94 EGFR (0.66) EGFRERBB2JAK3ERBB4
SCHEMBL1015980 0.94 EGFR (0.62) EGFRERBB2ERBB4
SCHEMBL1015981 0.94 EGFR (0.62) EGFRERBB2ERBB4
SCHEMBL1016915 0.92 EGFR (0.60) EGFRERBB2JAK3ERBB4
SCHEMBL1016917 0.92 EGFR (0.60) EGFRERBB2JAK3ERBB4
SCHEMBL1017062 0.89 EGFR (0.57) EGFR
SCHEMBL1015944 0.89 EGFR (0.61) EGFRERBB2
SCHEMBL1015945 0.89 EGFR (0.61) EGFRERBB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001890-B1 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS BAYER SCHERING PHARMA AG (DE) 2011-01-12 EP disclosed